4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C12H19ClN2O — CID 119499870

IUPAC4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCCc1ccc(C(=O)NCCNC)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-10-4-6-11(7-5-10)12(15)14-9-8-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H
InChIKeyXRZRECWEDVBXRZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.62
Rot. Bonds5

About 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride

4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119499870) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119499870
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCCc1ccc(C(=O)NCCNC)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-10-4-6-11(7-5-10)12(15)14-9-8-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H
InChIKeyXRZRECWEDVBXRZ-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
ethane;4-ethyl-N-propylbenzamide
CID 142831348
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
N-(3-amino-3-sulfanylidenepropyl)-4-ethylbenzamide
CID 62668181
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
2-[(4-ethylbenzoyl)amino]ethanesulfonic acid
CID 90066946
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119499870) is 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CCc1ccc(C(=O)NCCNC)cc1.Cl.
What is the InChIKey of 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is XRZRECWEDVBXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-3-10-4-6-11(7-5-10)12(15)14-9-8-13-2;/h4-7,13H,3,8-9H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119499870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).